Geometry & MOs

Info

ID:

148421

PubChem CID:

53788083

Reduced:

SN2O4C18H24 (1)

Stoich.:

AB2C4D18E24 (1)

Weight, g/mol:

575.172873

ΔHf, kcal/mol:

-149.23

Dipole, Da:

4.89

IP(EA), eV:

 -8.84(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[2-[3-(diaminomethylideneamino)phenoxy]-6-[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]oxy-3,5-difluoropyridin-4-yl]oxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCC(C)C1=C(N(C(=O)N1CC(=O)O)C(CC2=CC=CC=C2)CS)O

DOS

IR

Vibrations